4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

C12H8BrClF4N2O — CID 15278578

IUPAC4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl
InChIInChI=1S/C12H8BrClF4N2O/c1-20-11(12(16,17)18)9(13)10(19-20)5-3-8(21-2)6(14)4-7(5)15/h3-4H,1-2H3
InChIKeyOILZPMBRCODWJI-UHFFFAOYSA-N
MW387.56 g/mol
LogP4.67
Rot. Bonds2

About 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 15278578) has the molecular formula C12H8BrClF4N2O and a molecular weight of 387.56 g/mol. Its IUPAC name is 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID15278578
Molecular FormulaC12H8BrClF4N2O
Molecular Weight387.56 g/mol
Exact Mass385.94
IUPAC Name4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl
InChIInChI=1S/C12H8BrClF4N2O/c1-20-11(12(16,17)18)9(13)10(19-20)5-3-8(21-2)6(14)4-7(5)15/h3-4H,1-2H3
InChIKeyOILZPMBRCODWJI-UHFFFAOYSA-N
XLogP4.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
5-[4-Bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-chloro-4-fluoroaniline
CID 10948671
4-Bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11013698
3-(5-Azido-4-chloro-2-fluorophenyl)-4-bromo-5-(difluoromethoxy)-1-methylpyrazole
CID 11069323
4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 11121024
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
3-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11439056
4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 11523546
3-[5-(Bromomethyl)-4-chloro-2-fluorophenyl]-4-chloro-5-(difluoromethoxy)-1-methylpyrazole
CID 15030569
3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278580
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278581

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 15278578) is 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is COc1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl.
What is the InChIKey of 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is OILZPMBRCODWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF4N2O/c1-20-11(12(16,17)18)9(13)10(19-20)5-3-8(21-2)6(14)4-7(5)15/h3-4H,1-2H3.
What are the key properties of 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 387.56 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 15278578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).